Information card for entry 4313694

Structure parameters

• Common name: TpZn(2-mercaptopyridine-N-oxide)
• Formula: C140 H128 B4 N28 O4 S4 Zn4
• Calculated formula: C35 H32 B N7 O S Zn
• SMILES: c1cccc(c2[n]3[Zn]45(Sc6n(=[O]4)cccc6)[n]4n(c(cc4c4ccccc4)C)[BH](n3c(c2)C)n2[n]5c(cc2C)c2ccccc2)c1
• Title of publication: Examination of Novel Zinc-Binding Groups for Use in Matrix Metalloproteinase Inhibitors
• Authors of publication: David T. Puerta; Seth M. Cohen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3423 - 3430
• a: 35.847 ± 0.003 Å
• b: 20.8129 ± 0.0015 Å
• c: 34.388 ± 0.003 Å
• α: 90°
• β: 100.251 ± 0.001°
• γ: 90°
• Cell volume: 25247 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No